B6JWI3
-OEChem-04012117112D
42 44 0 0 0 0 0 0 0999 V2000
6.3243 -1.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1961 0.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7262 -1.7531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7262 1.2469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5961 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0602 -0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 -1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9663 0.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7262 0.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3282 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0602 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9663 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 -1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7359 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0038 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1958 -0.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9928 -0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8644 0.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0674 0.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9734 0.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1985 0.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5245 -1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9734 -2.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1292 0.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2740 1.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8617 -0.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1483 -2.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9952 -2.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7683 -1.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2632 1.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1893 1.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 2.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -0.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4681 1.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 8 1 0 0 0 0
2 13 1 0 0 0 0
2 29 1 0 0 0 0
3 9 2 0 0 0 0
3 16 1 0 0 0 0
4 12 1 0 0 0 0
4 38 1 0 0 0 0
4 39 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 12 2 0 0 0 0
6 7 1 0 0 0 0
6 11 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 13 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 10 2 0 0 0 0
8 14 1 0 0 0 0
9 15 1 0 0 0 0
10 28 1 0 0 0 0
11 18 2 0 0 0 0
11 19 1 0 0 0 0
12 17 1 0 0 0 0
14 15 2 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
16 17 2 0 0 0 0
16 20 1 0 0 0 0
17 32 1 0 0 0 0
18 21 1 0 0 0 0
18 33 1 0 0 0 0
19 22 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
21 23 2 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$